element(s):
['O']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5258', '3.3934595', '0.67829089']
model name:
Tersoff_LAMMPS_MunetohMotookaMoriguchi_2007_SiO__MO_501246546792_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O']
representative atom coordinates =  [[0.33333333 0.66666667 0.67829089]]
spacegroup =  194
cell =  [[2.5258, 0, 0], [-1.2629, 2.1874069648787, 0], [0, 0, 8.5712]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:31:05       -1.807101       18.1302
BFGS:    1 15:31:05       -4.515381        7.5296
BFGS:    2 15:31:05       -5.320226        2.9185
BFGS:    3 15:31:05       -5.509450        0.8863
BFGS:    4 15:31:05       -5.532877        0.1729
BFGS:    5 15:31:05       -5.533893        0.0141
BFGS:    6 15:31:05       -5.533900        0.0003
BFGS:    7 15:31:05       -5.533900        0.0000
BFGS:    8 15:31:05       -5.533900        0.0000
Minimization converged after 8 steps.
Maximum force component: 1.0482281709300878e-11 eV/Angstrom
Maximum stress component: 6.493987867407386e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O']
basis =  [[0.33333333 0.66666667 0.66442947]
 [0.66666666 0.33333334 0.16442947]
 [0.66666666 0.33333334 0.33557053]
 [0.33333333 0.66666667 0.83557053]]
cellpar =  Cell([[2.5257999999999834, 2.3929781029541024e-31, 3.5990056836063726e-38], [-1.2628999999999917, 2.18740696487872, -1.772583673230487e-36], [1.713043744634393e-36, 2.34243036453271e-35, 8.770701093847562]])
forces =  [[-4.24748433e-44 -8.20188889e-45 -1.04822817e-11]
 [-7.08084666e-45 -8.20188889e-45 -1.04822817e-11]
 [ 7.08084666e-45  8.20188889e-45  1.04822817e-11]
 [ 4.24748433e-44  8.20188889e-45  1.04822817e-11]]
stress =  [-5.11666951e-45 -5.11666951e-45 -6.49398787e-13  4.21675641e-47
  1.47969722e-47 -2.11044906e-61]
energy per atom =  -1.383474964320655
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0